- InChI
- InChI=1S/C11H14INO3/c1-7(14)13-4-3-8-5-11(16-2)9(12)6-10(8)15/h5-6,15H,3-4H2,1-2H3,(H,13,14)
- InChI Key
- GFHKOXWFPBTTAI-UHFFFAOYSA-N
- Formula
- C11H14INO3
- SMILES
- COc1cc(CCNC(C)=O)c(O)cc1I
- Molecular Weight1
- 335.14
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfG° | -106.14 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -348.55 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 35.58 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 81.66 | kJ/mol | Joback Calculated Property |
| log10WS | -2.89 | Crippen Calculated Property | |
| logPoct/wat | 1.684 | Crippen Calculated Property | |
| McVol | 191.200 | ml/mol | McGowan Calculated Property |
| Pc | 3131.49 | kPa | Joback Calculated Property |
| Inp | 2370.00 | NIST | |
| Tboil | 787.94 | K | Joback Calculated Property |
| Tc | 1030.10 | K | Joback Calculated Property |
| Tfus | 559.79 | K | Joback Calculated Property |
| Vc | 0.656 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [486.21; 544.71] | J/mol×K | [787.94; 1030.10] | 
|
| Cp,gas | 486.21 | J/mol×K | 787.94 | Joback Calculated Property |
| Cp,gas | 497.26 | J/mol×K | 828.30 | Joback Calculated Property |
| Cp,gas | 507.67 | J/mol×K | 868.66 | Joback Calculated Property |
| Cp,gas | 517.54 | J/mol×K | 909.02 | Joback Calculated Property |
| Cp,gas | 526.95 | J/mol×K | 949.38 | Joback Calculated Property |
| Cp,gas | 535.98 | J/mol×K | 989.74 | Joback Calculated Property |
| Cp,gas | 544.71 | J/mol×K | 1030.10 | Joback Calculated Property |
Similar Compounds
Sources
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